Molecular dynamics simulation techniques and their application to aroma compounds/cyclodextrin inclusion complexes: a review
X Kou, D Su, F Pan, X Xu, Q Meng, Q Ke - Carbohydrate Polymers, 2024 - Elsevier
Homeostatic technologies play a crucial role in maintaining the quality and extending the
service life of aroma compounds (ACs). Commercial cyclodextrins (CDs) are commonly …
service life of aroma compounds (ACs). Commercial cyclodextrins (CDs) are commonly …
Perspective on the Martini model
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …
broad range of applications since its release a decade ago. Based on a building block …
Moltemplate: A tool for coarse-grained modeling of complex biological matter and soft condensed matter physics
Coarse-grained models have long been considered indispensable tools in the investigation
of biomolecular dynamics and assembly. However, the process of simulating such models is …
of biomolecular dynamics and assembly. However, the process of simulating such models is …
Water-responsive supercontractile polymer films for bioelectronic interfaces
Connecting different electronic devices is usually straightforward because they have paired,
standardized interfaces, in which the shapes and sizes match each other perfectly. Tissue …
standardized interfaces, in which the shapes and sizes match each other perfectly. Tissue …
Teixobactin kills bacteria by a two-pronged attack on the cell envelope
Antibiotics that use novel mechanisms are needed to combat antimicrobial resistance,–.
Teixobactin represents a new class of antibiotics with a unique chemical scaffold and lack of …
Teixobactin represents a new class of antibiotics with a unique chemical scaffold and lack of …
[HTML][HTML] A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0]
The weighted ensemble (WE) strategy has been demonstrated to be highly efficient in
generating pathways and rate constants for rare events such as protein folding and protein …
generating pathways and rate constants for rare events such as protein folding and protein …
Micelle-directed chiral seeded growth on anisotropic gold nanocrystals
Surfactant-assisted seeded growth of metal nanoparticles (NPs) can be engineered to
produce anisotropic gold nanocrystals with high chiroptical activity through the templating …
produce anisotropic gold nanocrystals with high chiroptical activity through the templating …
Automated topology builder version 3.0: Prediction of solvation free enthalpies in water and hexane
The ability of atomic interaction parameters generated using the Automated Topology
Builder and Repository version 3.0 (ATB3. 0) to predict experimental hydration free …
Builder and Repository version 3.0 (ATB3. 0) to predict experimental hydration free …
Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst
Polyethylene (PE) is the most popular plastic globally, and the widespread use of plastics
has created severe environmental issues. High energy consumption in the current process …
has created severe environmental issues. High energy consumption in the current process …
Antimicrobial hybrid amphiphile via dynamic covalent bonds enables bacterial biofilm dispersal and bacteria eradication
To tackle the problems caused by bacterial biofilms, herein, this study reports an
antimicrobial hybrid amphiphile (aHA) via dynamic covalent bonds for eradicating …
antimicrobial hybrid amphiphile (aHA) via dynamic covalent bonds for eradicating …